Solid‐state 31P NMR investigation on the status of guanine nucleotides in paclitaxel‐stabilized microtubules

Microtubule dynamics is a target for many chemotherapeutic drugs. In order to understand the biochemical effects of paclitaxel on the GTPase activity of tubulin, the status of guanine nucleotides in microtubules was investigated by ³¹P cross‐polarization magic angle spinning (CPMAS) NMR. Microtubules were freshly prepared in vitro in the presence of paclitaxel and then lyophilized in sucrose buffer for solid‐state NMR experiments. A ³¹P CPMAS NMR spectrum with the SNR of 25 was successfully acquired from the lyophilized microtubule sample. The broadness of the ³¹P spectral lines in the spectrum indicates that the molecular environments around the guanine nucleotides inside tubulin may not be as crystalline as reported by many diffraction studies. Deconvolution of the spectrum into four spectral components was carried out in comparison with the ³¹P NMR spectra obtained from five control samples. The spectral analysis suggested that about 13% of the nucleotides were present as GTP and 37% as GDP in the β‐tubulin (E‐site) of the microtubules. It was found that most of the GDPs were present as GDP‐P_i complex in the microtubules, which seems to be one of the effects of paclitaxel binding. Copyright © 2015 John Wiley & Sons, Ltd.     

Les espaces réguliers et le problème de métrisation

Sans résumé     

Approximation of multi-scale elliptic problems using patches of finite elements

In this paper we present a method to solve numerically elliptic problems with multi-scale data using multiple levels of not necessarily nested grids. The method consists in calculating successive corrections to the solution in patches whose discretizations are not necessarily conforming. It resembles the FAC method (see Math. Comp. 46 (174) (1986) 439–456) and its convergence is obtained by a domain decomposition technique (see Math. Comp. 57 (195) (1991) 1–21). However it is of much more flexible use in comparison to the latter. To cite this article: R. Glowinski et al., C. R. Acad. Sci. Paris, Ser. I 337 (2003).     

The rational design of modified Cinchona alkaloid catalysts. Application to a new asymmetric synthesis of chiral chromanes

A new asymmetric synthesis of 2-substituted chiral chromanes has been achieved. The key step is the intramolecular conjugate addition of a phenolic nucleophile on a α,β-unsaturated ester catalyzed by Cinchona alkaloids. The high ee’s obtained with cinchonine and its derivatives have been rationalized by ab initio quantum chemistry calculations of transition state structures.     

Book rewiev

Howard Anton and Robert C. Busby, John Wiley & Sons, Inc., 2002.     

Study of removal processes of <Superscript>7</Superscript>Be and <Superscript>137</Superscript>Cs from the atmosphere

In order to understand better the way in which radioactive contamination may be transferred from the atmosphere to other ecological compartments it is necessary to obtain information of the deposition mechanisms of radionuclides. Concentration and speciation of ¹³⁷Cs and ⁷Be in the atmospheric aerosol and deposition were studied. The mixed deposition velocities of water-soluble and insoluble ¹³⁷Cs and ⁷Be were determined. The relation between activity concentrations of insoluble ⁷Be in the atmosphere and its amount in deposition was observed. It is supposed that in the deposition process of radiocesium the precipitation plays an important role in scavenging of water-soluble radiocesium by falling raindrops, in contrast to insoluble ¹³⁷Cs where the dry deposition becomes predominant.     

Analysis of end point vibrations of a two-link manipulator by integrated CAD/CAE procedures

In this work, the effect of flexibility on the trajectory of a planar two-link manipulator is studied using integrated computer-aided design/analysis (CAD/CAE) procedures. The solid models and finite element models of the parts of the manipulator are created by using the CAD/CAE software I-DEAS. The assembly is defined, and knowing the payload and the end point trajectory, the velocities and accelerations of the parts, joint forces and driving torques are calculated using the rigid body dynamics. All the time dependent nodal forces acting on the parts including distributed gravity and inertia forces are created in files with the I-DEAS program file format. The finite element vibration analysis of the parts is performed by I-DEAS. The end point vibrations and the deviations from the rigid-body trajectory are analyzed for different types of end point acceleration curves. A circular trajectory is considered as an example. It is observed that the precision of the manipulator can be increased by testing different end point acceleration curves without changing the trajectory and the duration of the end point work. The procedure explained in this work can be used for this purpose successfully.     

A new insight into the understanding of the collapsed form of poly(N-isopropylacrylamide) molecules

Possible collapsed forms of poly(N-isopropylacrylamide) molecules are reviewed on the basis of first principle calculations. Various configurations and associated conformations are detailed. The calculated optimized structures exhibit different possibilities of creating networks of intra-molecular bonds of the hydrogen type. We show that the most remarkable one is able to form a local, self-saturated and well ordered helix. We also indicate in which direction the synthesis of the molecule should be oriented to improve its global behavior in term of hydrophobic/hydrophilic behavior.